15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene

C22H20 — CID 91599001

IUPAC15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESCC=CC1=C(C=CC)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C22H20/c1-3-9-15-16(10-4-2)22-19-13-7-5-11-17(19)21(15)18-12-6-8-14-20(18)22/h3-14,21-22H,1-2H3
InChIKeyNLKDUBQPTWFNAR-UHFFFAOYSA-N
MW284.40 g/mol
LogP5.73
Rot. Bonds2

About 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene

15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene (PubChem CID 91599001) has the molecular formula C22H20 and a molecular weight of 284.40 g/mol. Its IUPAC name is 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene.

Molecular Properties

Compound Name15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
PubChem CID91599001
Molecular FormulaC22H20
Molecular Weight284.40 g/mol
Exact Mass284.16
IUPAC Name15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
SMILESCC=CC1=C(C=CC)C2c3ccccc3C1c1ccccc12
InChIInChI=1S/C22H20/c1-3-9-15-16(10-4-2)22-19-13-7-5-11-17(19)21(15)18-12-6-8-14-20(18)22/h3-14,21-22H,1-2H3
InChIKeyNLKDUBQPTWFNAR-UHFFFAOYSA-N
XLogP5.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.40
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The IUPAC name of 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene (CID 91599001) is 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene.
What is the SMILES notation for 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The canonical SMILES for 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene is CC=CC1=C(C=CC)C2c3ccccc3C1c1ccccc12.
What is the InChIKey of 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
The InChIKey is NLKDUBQPTWFNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20/c1-3-9-15-16(10-4-2)22-19-13-7-5-11-17(19)21(15)18-12-6-8-14-20(18)22/h3-14,21-22H,1-2H3.
What are the key properties of 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene?
15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene has a molecular weight of 284.40 g/mol, XLogP of 5.73, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene is sourced from PubChem (CID 91599001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).